C20H22Inos
TL;DR: C20H22Inos (CAS 1035495-77-2) is a chemical compound with molecular formula C20H22INOS and molecular weight 451.0467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,1-dimethylpiperidin-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one iodide
Also Known As: 1,1-Dimethyl-4-(10-oxo-9,10-dihydro-1-thia-benzo[f]azulen-4-ylidene)-piperidinium, 1,1-dimethyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidin-1-ium iodide, C20H22INOS
Technical Specifications
| Molecular Formula | C20H22INOS |
| Molecular Weight | 451.0467 g/mol |
| XLogP | 1.163 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 451.0467 Da |
| Heavy Atoms | 24 |
| Complexity | 512.0 |
| SMILES | C[N+]1(CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1)C.[I-] |
| InChIKey | SVDQMWPHPQHTDT-UHFFFAOYSA-M |
Chemical Property Profile of C20H22Inos
Property Insights of C20H22Inos
The XLogP value of 1.163 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H22Inos. With a topological polar surface area (TPSA) of 45.3 Ų, C20H22Inos exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H22Inos has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C20H22Inos?
The CAS number of C20H22Inos is 1035495-77-2.
What is the molecular formula of C20H22Inos?
The molecular formula of C20H22Inos is C20H22INOS.
What is the molecular weight of C20H22Inos?
The molecular weight of C20H22Inos is 451.0467 g/mol.
Where can I buy C20H22Inos?
You can request a quote for C20H22Inos directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H22Inos?
Yes, CoreyChem provides custom synthesis services for C20H22Inos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.